SCHEMBL5453814

SCHEMBL5453814

Cc1cc(C)c(SCc2cc(C(=O)O)no2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
RARA P10276 1/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
FDPS P14324 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5458329 0.84 LMNA (0.44) LMNANPC1RAB9AHTTALDH1A1
SCHEMBL5461144 0.81 MEN1 (0.54) LMNAPKMNPC1RAB9AALDH1A1
SCHEMBL23132428 0.77 HCAR2 (0.49) NPC1RAB9AHTTRARARXRA
SCHEMBL19459379 0.74 TYR (0.41) NPC1RAB9AHTTRARARXRA
SCHEMBL744240 0.73 NOTUM (0.48) HTTALDH1A1FDPSHCAR2SMN1; SMN2
SCHEMBL5458534 0.72 MEN1 (0.60) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL5449783 0.72 DAO (0.48) LMNANPC1RAB9AALDH1A1MEN1
SCHEMBL5445324 0.71 ALDH1A1 (0.55) LMNANPC1RAB9AHTTALDH1A1
SCHEMBL2131964 0.71 TP53 (0.50) NPC1RAB9AHTTALDH1A1FDPS
SCHEMBL5447826 0.70 SMN1; SMN2 (0.43) LMNANPC1RAB9AHTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US claimed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP claimed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 WO claimed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors PDF, MRPL21, PEPD LMNA 2510/4885PKM 927/4885NPC1 1545/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.